SCHEMBL4430193

SCHEMBL4430193

Cc1cc(C(=O)Nc2ccc(CN3CCN(C(=O)OCC(C)C)CC3)cc2)nn1Cc1cc(Cl)cc2cc(-c3ccc(F)cc3F)oc12

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 20/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3223423 0.90 PTGER1 (0.50) PTGER1
SCHEMBL3222982 0.86 PTGER1 (0.54) PTGER1
SCHEMBL4432069 0.86 PTGER1 (0.55) PTGER1
Hydrochloric Acid SCHEMBL3210716 0.86 PTGER1 (0.54) PTGER1
SCHEMBL3203442 0.84 PTGER1 (0.59) PTGER1
SCHEMBL3200043 0.81 PTGER1 (0.54) PTGER1
SCHEMBL3214223 0.78 PTGER1 (0.72) PTGER1
SCHEMBL3215497 0.77 PTGER1 (0.56) PTGER1
SCHEMBL3213365 0.77 PTGER1 (0.74) PTGER1
SCHEMBL3221088 0.76 PTGER1 (0.70) PTGER1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2129670-A2 BENZOFURAN COMPOUNDS USEFUL IN THE TREATMENT OF CONDITIONS MEDIATED BY THE ACTION OF PGE2 AT THE EP1 RECEPTOR Glaxo Group Limited (GB) 2009-12-09 EP disclosed
WO-2008098978-A2 BENZOFURAN COMPOUNDS USEFUL IN THE TREATMENT OF CONDITIONS MEDIATED BY THE ACTION OF PGE2 AT THE EP1 RECEPTOR GLAXO GROUP LIMITED (GB) 2008-08-21 WO disclosed